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1076197-70-0 molecular structure
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2-(chloromethyl)-1-fluoro-4-methoxybenzene

ChemBase ID: 179951
Molecular Formular: C8H8ClFO
Molecular Mass: 174.5999232
Monoisotopic Mass: 174.02477078
SMILES and InChIs

SMILES:
C(c1c(ccc(c1)OC)F)Cl
Canonical SMILES:
COc1ccc(c(c1)CCl)F
InChI:
InChI=1S/C8H8ClFO/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
InChIKey:
GLHVGEFEOAJQCI-UHFFFAOYSA-N

Cite this record

CBID:179951 http://www.chembase.cn/molecule-179951.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-1-fluoro-4-methoxybenzene
IUPAC Traditional name
2-(chloromethyl)-1-fluoro-4-methoxybenzene
Synonyms
2-Fluoro-5-methoxybenzyl chloride
CAS Number
1076197-70-0
PubChem SID
164235861
PubChem CID
26343849

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 26343849 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5455186  LogD (pH = 7.4) 2.5455186 
Log P 2.5455186  Molar Refractivity 42.6045 cm3
Polarizability 16.226355 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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